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Entry information

Complex
AACDB_ID: 7026
PDBID: 4QKX
Chains: B_A
Organism: Tequatrovirus T4, Homo sapiens, Lama glama
Method: XRD
Resolution (Å): 3.30
Reference: 10.1073/pnas.1410415111
Antibody
Antibody: 6B9 Nanobody
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: β2-adrenoreceptor
Antigen mutation: Yes
Durg Target: P00720

Sequence information

Antibody

Chain: B
Mutation: NULL

>4QKX_B|Chain B|R9 protein|Lama glama (9844)
QVQLQESGGGLVQAGGSLRLSCAASGSIFALNIMGWYRQAPGKQRELVAAIHSGGTTNYANSVKGRFTISRDNAANTVYLQMNSLKPEDTAVYYCNVKDFGAIIYDYDYWGQGTQVTVSS

Antigen

Chain: A
Mutation: C68T/C111A/H242C/M245T/M247T/N336E/E386A

>4QKX_A|Chain A|Beta-2 adrenergic receptor|Enterobacteria phage T4 (10665)
DYKDDDDAENLYFQGNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYAADEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAACILTKTWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKFALKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLK

Interaction

1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.

Interacting residues (ΔSASA based)

Chain residues position delta_SASA : residuesposition

B: SER29 ILE30 PHE31 ALA32 LEU33 ILE35 LEU49 ALA52 HIS54 SER55 GLY56 GLY57 THR58 THR59 ASN60 ARG73 ASP74 ASN75 ALA76 ASN78 ASP101 PHE102 GLY103 ALA104 ILE105 ILE106 TYR107 ASP108 TYR109 TYR111

A: THR1068 ILE1072 ILE1127 ARG1131 ALA1134 ILE1135 THR1136 PRO1138 PHE1139 GLN1142 TYR1219 VAL1222 GLU1225 ALA1226 GLN1229 LEU1230 GLN1231 ALA1265 LEU1266 LYS1267 GLU1268 ALA1271 THR1274 LEU1275 ILE1278 ILE1325 TYR1326 ARG1328 SER1329 PRO1330

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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